2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide

C15H22N2O — CID 113264265

IUPAC2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCCC1CC1
InChIInChI=1S/C15H22N2O/c16-14(11-13-5-2-1-3-6-13)15(18)17-10-4-7-12-8-9-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18)
InChIKeyNGIZUXUZCUPFQM-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds7

About 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide

2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide (PubChem CID 113264265) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
PubChem CID113264265
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCCC1CC1
InChIInChI=1S/C15H22N2O/c16-14(11-13-5-2-1-3-6-13)15(18)17-10-4-7-12-8-9-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18)
InChIKeyNGIZUXUZCUPFQM-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
(2S)-2-amino-N-(3-cyclopropylpropyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 104876669
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
CID 119338181
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide (CID 113264265) is 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCCCC1CC1.
What is the InChIKey of 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide?
The InChIKey is NGIZUXUZCUPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14(11-13-5-2-1-3-6-13)15(18)17-10-4-7-12-8-9-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide?
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 113264265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).